HRID2325091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2736256

1,2-dimethyl-1H-imidazole-4-sulfonyl chloride

C5H7ClN2O2S

结构：COc1ccc(-c2ccc(CNCCCNc3nsc4ncccc34)cc2)cc1

HCID58726876

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(CN(CCCNc3nsc4ncccc34)S(=O)(=O)c3cn(C)c(C)n3)cc2)cc1

HCID58727123

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e969ad9b6ab942d28eca0c86691572d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:50]([Cl:51])[Cl:52].[CH3:39][n:40]1[c:41]([CH3:49])[n:42][c:43]([S:45](=[O:46])(=[O:47])[Cl:48])[cH:44]1.[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[s:1]1[n:2][c:3]([NH:10][CH2:11][CH2:12][CH2:13][NH:14][CH2:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[cH:20][cH:21]2)[c:4]2[c:5]1[n:6][cH:7][cH:8][cH:9]2>>[s:1]1[n:2][c:3]([NH:10][CH2:11][CH2:12][CH2:13][N:14]([CH2:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[cH:20][cH:21]2)[S:45]([c:43]2[n:42][c:41]([CH3:49])[n:40]([CH3:39])[cH:44]2)(=[O:46])=[O:47])[c:4]2[c:5]1[n:6][cH:7][cH:8][cH:9]2